N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide

C26H33N5O — CID 90507044

IUPACN-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C26H33N5O/c1-19-24(20(2)31(28-19)23-9-7-6-8-10-23)29-15-17-30(18-16-29)25(32)27-22-13-11-21(12-14-22)26(3,4)5/h6-14H,15-18H2,1-5H3,(H,27,32)
InChIKeyHLTILMDSOBHYLC-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.14
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide

N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 90507044) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID90507044
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC NameN-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C26H33N5O/c1-19-24(20(2)31(28-19)23-9-7-6-8-10-23)29-15-17-30(18-16-29)25(32)27-22-13-11-21(12-14-22)26(3,4)5/h6-14H,15-18H2,1-5H3,(H,27,32)
InChIKeyHLTILMDSOBHYLC-UHFFFAOYSA-N
XLogP5.14
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 90507036
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90507543
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one
CID 90506606
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-2-ethylbutan-1-one
CID 90506613
N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113112711
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide
CID 90507570
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90507503
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]pentan-1-one
CID 90506609
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 90506631
N-(4-tert-butylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26102988
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 90506686

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide (CID 90507044) is N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide is Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is HLTILMDSOBHYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-19-24(20(2)31(28-19)23-9-7-6-8-10-23)29-15-17-30(18-16-29)25(32)27-22-13-11-21(12-14-22)26(3,4)5/h6-14H,15-18H2,1-5H3,(H,27,32).
What are the key properties of N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide?
N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 90507044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).